MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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plumbagin

	Properties	Image
MNX_ID	MNXM21012
reference	chebi:8273
formula	C₁₁H₈O₃
global charge	0
mol weight	188.182
InChIKey	VCMMXZQDRFWYSE-UHFFFAOYSA-N
InChI	InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
SMILES	CC1=CC(=O)C2=C(O)C=CC=C2C1=O

MNX internals

InChI (mnx)	InChI=1/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
SMILES (mnx)	[CH3:1][C:6]1=[CH:5][C:9](=[O:13])[C:10]2=[C:7]([CH:3]=[CH:2][CH:4]=[C:8]2[OH:12])[C:11]1=[O:14]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:8273 chebi:8273 VCMMXZQDRFWYSE-UHFFFAOYSA-N	plumbagin 2-methyl-5-hydroxy-1,4-naphthoquinone 2-methyljuglone 5-hydroxy-2-methyl-1,4-naphthalenedione 5-hydroxy-2-methyl-1,4-naphthoquinone 5-hydroxy-2-methylnaphthalene-1,4-dione Plumbagin plumbaein plumbagine plumbagone
sabiork.compound:25679 sabiorkM:25679 VCMMXZQDRFWYSE-UHFFFAOYSA-N	2-Methyl-5-hydroxy-1,4-naphthoquinone
kegg.compound:C10387 keggC:C10387 VCMMXZQDRFWYSE-UHFFFAOYSA-N	Plumbagin
hmdb:HMDB0256646 VCMMXZQDRFWYSE-UHFFFAOYSA-N	Plumbagin 2-Methyl-5-hydroxy-1,4-naphthoquinone 2-Methyljuglone 5-Hydroxy-2-methyl-1,4-naphthalenedione 5-Hydroxy-2-methyl-1,4-naphthoquinone 5-hydroxy-2-methyl-1,4-dihydronaphthalene-1,4-dione Plumbaein Plumbagine Plumbagone plumbagin
seed.compound:cpd07276 seedM:cpd07276 VCMMXZQDRFWYSE-UHFFFAOYSA-N	Plumbagin 5-hydroxy-2-methyl-1,4-naphthoquinone plumbagin plumbagine
metacyc.compound:CPD-4461 metacycM:CPD-4461 VCMMXZQDRFWYSE-UHFFFAOYSA-N	plumbagin 5-hydroxy-2-methyl-1,4-naphthoquinone plumbagine
keggC:M_C10387 seedM:M_cpd07276	secondary/obsolete/fantasy identifier